N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-(4-fluorophenyl)sulfanyl-phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=C(C=C4)F

InChI

InChI=1S/C22H15ClFN3O2S/c1-27-22(29)17-5-3-2-4-16(17)20(26-27)21(28)25-18-12-13(23)6-11-19(18)30-15-9-7-14(24)8-10-15/h2-12H,1H3,(H,25,28)